<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear Raghvendar, <div class=""><br class=""></div><div class="">without full input file and units it’s hard </div><div class="">to give any potentially useful advise. </div><div class=""><br class=""></div><div class="">Cheers, </div><div class="">Thomas<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 21.04.2020 um 22:58 schrieb Raghvender <<a href="mailto:rvragh...@gmail.com" class="">rvragh...@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Hi everyone,<div class="">I am trying to simulate TeO2 amorphous system at 1000K with 180 atoms (60 Te). So, the way I did was to generate a random configuration followed by 5ps of the run at 300K. Then I did the same for 600K. After that I increased the temperature to 1000K. </div><div class="">So, my problem is I have already simulated my system for 70ps but still, the diffusion coefficient I am getting is of order of (10e-6). I want this to be order of (10e-5). How can I get that?? </div><div class="">I am using RINGS code to calculate the diffusion coefficient.</div><div class="">Thanks</div></div><div class=""><br class="webkit-block-placeholder"></div>
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